2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide

C18H24N2O4S — CID 118785685

IUPAC2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)NCCC3CCCCN3S(C)(=O)=O)c2o1
InChIInChI=1S/C18H24N2O4S/c1-13-12-14-6-5-8-16(17(14)24-13)18(21)19-10-9-15-7-3-4-11-20(15)25(2,22)23/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3,(H,19,21)
InChIKeyUEHHGCKMTUTRQQ-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.68
Rot. Bonds5

About 2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide

2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide (PubChem CID 118785685) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide
PubChem CID118785685
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide
SMILESCc1cc2cccc(C(=O)NCCC3CCCCN3S(C)(=O)=O)c2o1
InChIInChI=1S/C18H24N2O4S/c1-13-12-14-6-5-8-16(17(14)24-13)18(21)19-10-9-15-7-3-4-11-20(15)25(2,22)23/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3,(H,19,21)
InChIKeyUEHHGCKMTUTRQQ-UHFFFAOYSA-N
XLogP2.68
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]furan-3-carboxamide
CID 51894945
2-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97436873
5-acetyl-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]thiophene-3-carboxamide
CID 97434697
2-methyl-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]-1-benzofuran-7-carboxamide
CID 125179413
2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-1-benzofuran-7-carboxamide
CID 45182441
5-(difluoromethyl)-N-[2-[(2R)-1-methylsulfonylpiperidin-2-yl]ethyl]-1H-pyrazole-3-carboxamide
CID 125179595
N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-3-morpholin-4-yl-1,2-oxazole-5-carboxamide
CID 138387134
N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70754305
2-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70845742
5-methyl-N-[2-[(2S)-1-methylsulfonylpiperidin-2-yl]ethyl]-1,3,4-oxadiazol-2-amine
CID 97200324
2-methyl-N-[(1R,3R)-3-[[2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetyl]amino]cyclohexyl]-1-benzofuran-7-carboxamide
CID 146038447
N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70730171

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide (CID 118785685) is 2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide is Cc1cc2cccc(C(=O)NCCC3CCCCN3S(C)(=O)=O)c2o1.
What is the InChIKey of 2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide?
The InChIKey is UEHHGCKMTUTRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-13-12-14-6-5-8-16(17(14)24-13)18(21)19-10-9-15-7-3-4-11-20(15)25(2,22)23/h5-6,8,12,15H,3-4,7,9-11H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide?
2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 118785685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).